Crystallography Open Database

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2022585 CIF
HKL
Paper
C28 H36 N6 O4P 1 21/c 19.77352; 19.3316; 14.3425
90; 90.3045; 90
2709.8Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022586 CIF
HKL
Paper
C28 H36 N6 O5P 1 21/c 110.25267; 19.21448; 14.29015
90; 90.1353; 90
2815.15Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022587 CIF
HKL
Paper
C25 H27 Cl3 N6 O3P 1 21/c 110.0422; 18.3553; 14.4134
90; 91.5895; 90
2655.77Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022588 CIF
HKL
Paper
C26 H29 N7 O3P 1 21/c 19.92522; 17.86566; 14.34306
90; 91.437; 90
2542.52Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022589 CIF
HKL
Paper
C58 H76 N6 S3P 1 21/c 126.461; 21.2115; 9.2552
90; 90.044; 90
5194.73Li, Gongchun; Wang, Wei; Zhan, Chun; Xiao, Shengqiang
Synthesis and properties of a novel decacyclic <i>S</i>,<i>N</i>-heteroacene
Acta Crystallographica Section C, 2022, 78
2022590 CIF
HKL
Paper
C12 H16 O4P 21 21 214.9935; 7.1864; 33.3673
90; 90; 90
1197.4Zhang, Qun-Zheng; Zhong, Zhen-Hua; Hao, Ding; Feng, Ming-Nan; Wang, Si-Chang; Han, Qi-Long; Bai, Yajun; Xu, Danni; Liao, Sha; Xiao, Chaoni; Zhang, Xun-Li; Zheng, Xiaohui
Synthesis, crystal structure and bioactivities of α-asaronol
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2022591 CIF
Paper
Ca10.974 O27.64 P6.012P 19.449; 9.449; 6.908
90; 90; 120
534.14Arnold, Emily L.; Keeble, Dean S.; Evans, J. P. O.; Greenwood, Charlene; Rogers, Keith D.
Investigating pair distribution function use in analysis of nanocrystalline hydroxyapatite and carbonate-substituted hydroxyapatite
Acta Crystallographica Section C, 2022, 78
2022592 CIF
Paper
C16 H15 N3 O3P -110.0118; 11.8026; 13.6496
65.234; 73.354; 78.437
1397.18González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor
Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam
Acta Crystallographica Section C, 2022, 78
2022593 CIF
Paper
C16 H18 N2 O4P c a 2113.6888; 11.037; 9.6269
90; 90; 90
1454.46González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor
Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam
Acta Crystallographica Section C, 2022, 78
2022594 CIF
HKL
Paper
Cu Na2 Ni O8 P2P 1 21/n 15.13; 8.6729; 6.8473
90; 97.104; 90
302.311Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V.
Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures
Acta Crystallographica Section C, 2022, 78
2022595 CIF
HKL
Paper
Cu Mn2 O8 P2P -14.8292; 5.4051; 6.5968
72.716; 86.579; 69.064
153.35Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V.
Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures
Acta Crystallographica Section C, 2022, 78
2022596 CIF
HKL
Paper
C24 H588 Ce6 Mo124 N4 Na4 O664C 1 2/c 154.272; 38.896; 31.734
90; 112.145; 90
62048Al-Sayed, Emir; Tanuhadi, Elias; Giester, Gerald; Rompel, Annette
Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na~4~[Mo~2~O~2~(OH)~4~(C~6~H~4~NO~2~)~2~]~2~[Mo~120~Ce~6~O~366~H~12~(OH)~2~(H~2~O)~76~]∼ 200H~2~O
Acta Crystallographica Section C, 2022, 78
2022597 CIF
Paper
C4 H10 Ce Cl O9P 1 21 15.9097; 7.7974; 11.7206
90; 97.816; 90
535.07Belhouas, Ratiba; Trifa, Chahrazed; Bouacida, Sofiane; Benmerad, Belkacem; Souici, Abdel Hafid; Boudaren, Chaouki; Merazig, Hocine
A new chiral rare-earth organic framework constructed by tartaric acid: synthesis, structural, thermal investigations and optical properties
Acta Crystallographica Section C, 2022, 78, 314-321
2022600 CIF
HKL
Paper
C3 H5 Cl O3P 1 21/c 110.8897; 10.6951; 9.0496
90; 108.059; 90
1002.05Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.
Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'
Acta Crystallographica Section C, 2022, 78, 257-264
2022601 CIF
HKL
Paper
C3 H5 Br O3P 1 21/c 111.3076; 10.8912; 9.0769
90; 106.673; 90
1070.85Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.
Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'
Acta Crystallographica Section C, 2022, 78, 257-264
2022602 CIF
HKL
Paper
C3 H5 I O3P 1 21/c 111.4762; 5.437; 9.1941
90; 92.848; 90
572.97Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.
Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'
Acta Crystallographica Section C, 2022, 78, 257-264
2022603 CIF
HKL
Paper
C11 H17 Cl N2 O2P b c a8.77; 11.658; 23.843
90; 90; 90
2437.7van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli
Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene
Acta Crystallographica Section C, 2022, 78
2022604 CIF
HKL
Paper
C11 H17 Br N2 O2P b c a8.859; 12.038; 23.805
90; 90; 90
2538.7van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli
Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene
Acta Crystallographica Section C, 2022, 78
2022605 CIF
HKL
Paper
C14 H19 Br F2 I N2 O3P 1 21/c 112.9151; 11.3061; 12.5239
90; 90.6281; 90
1828.62van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli
Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene
Acta Crystallographica Section C, 2022, 78
2022606 CIF
HKL
Paper
C18 H28 N4 O2P b c a6.9163; 12.5609; 19.9264
90; 90; 90
1731.11Ranaweera, Samantha A.; Bruno, Donnadieu; Henry, W. P.; White, Mark. G.
Step-stool conformation of a cyclic Schiff base derived from ethylenediamine and heptane-2,4,6-trione: evidence for partial hydrolysis in metal coordination
Acta Crystallographica Section C, 2022, 78
2022607 CIF
HKL
Paper
C18 H14 Cl4 N2 OP 1 21/c 17.1902; 18.5341; 14.2507
90; 102.814; 90
1851.81Kaspiaruk, Hanna; Checińska, Lilianna
A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate
Acta Crystallographica Section C, 2022, 78
2022608 CIF
HKL
Paper
C20 H20 Cl4 N2 O2P -18.0766; 11.5926; 13.0383
115.423; 99.068; 94.776
1073.06Kaspiaruk, Hanna; Checińska, Lilianna
A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate
Acta Crystallographica Section C, 2022, 78
2022609 CIF
HKL
Paper
C18 H15 Cl4 N2 O1.5P 1 21/c 18.063; 33.261; 16.5481
90; 117.864; 90
3923.4Kaspiaruk, Hanna; Checińska, Lilianna
A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate
Acta Crystallographica Section C, 2022, 78
2022610 CIF
HKL
Paper
C28 H20 O5 P ReP -19.9301; 10.1686; 12.7882
80.948; 71.899; 88.682
1211.6Schutte-Smith, Marietjie; Visser, Hendrik Gideon
Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)]
Acta Crystallographica Section C, 2022, 78
2022611 CIF
HKL
Paper
C28 H17 Br3 O5 P ReP -18.5413; 8.7024; 20.376
102.221; 93.891; 109.093
1383.3Schutte-Smith, Marietjie; Visser, Hendrik Gideon
Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)]
Acta Crystallographica Section C, 2022, 78
2022612 CIF
HKL
Paper
C18 H15 Ag Cl3 F3 N2 O7 SP 1 21/n 114.987; 10.835; 15.997
90; 100.49; 90
2554.2Jo, Seong Min; Noh, Tae Hwan
Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane
Acta Crystallographica Section C, 2022, 78
2022613 CIF
HKL
Paper
C17 H14 Ag F3 N2 O7 SP 1 21/c 18.4347; 15.5581; 14.9879
90; 100.31; 90
1935.07Jo, Seong Min; Noh, Tae Hwan
Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane
Acta Crystallographica Section C, 2022, 78
2022614 CIF
HKL
Paper
C20 H28 Cl O2.5P 31 2 110.5989; 10.5989; 28.4478
90; 90; 120
2767.58Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe
Solid forms and β-cyclodextrin complexation of turinabol
Acta Crystallographica Section C, 2022, 78, 305-313
2022615 CIF
HKL
Paper
C20 H27 Cl O2P 1 21 110.8409; 10.225; 16.4751
90; 93.759; 90
1822.31Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe
Solid forms and β-cyclodextrin complexation of turinabol
Acta Crystallographica Section C, 2022, 78, 305-313
2022616 CIF
HKL
Paper
C42 H60 Cl2 O7P 43 21 210.70311; 10.70311; 68.7275
90; 90; 90
7873.19Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe
Solid forms and β-cyclodextrin complexation of turinabol
Acta Crystallographica Section C, 2022, 78, 305-313
2022617 CIF
HKL
Paper
C42 H57 Cl2 F3 O5P 21 21 2110.3088; 12.9337; 29.6661
90; 90; 90
3955.41Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe
Solid forms and β-cyclodextrin complexation of turinabol
Acta Crystallographica Section C, 2022, 78, 305-313
2022618 CIF
HKL
Paper
C56 H70 Ho4 N4 O33P 1 21/n 19.0957; 17.4571; 11.5422
90; 95.107; 90
1825.45Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian
Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence
Acta Crystallographica Section C, 2022, 78
2022619 CIF
HKL
Paper
C64 H82 Eu4 N6 O32P 1 21/n 19.3197; 17.6285; 11.2707
90; 94.131; 90
1846.88Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian
Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence
Acta Crystallographica Section C, 2022, 78
2022620 CIF
HKL
Paper
C17 H20 N4 O5P 21 21 217.2057; 11.0792; 41.2346
90; 90; 90
3291.9Mei, Hui; Budow-Busse, Simone; Kondhare, Dasharath; Eickmeier, Henning; Reuter, Hans; Seela, Frank
The 2'-deoxyribofuranoside of 3-phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazin-7-one: a bicyclic nucleoside with sugar residues in <i>N</i> and <i>S</i> conformations, and its molecular recognition
Acta Crystallographica Section C, 2022, 78
2022621 CIF
HKL
Paper
C10 H9 N O S2P 1 c 14.9916; 10.8497; 10.0075
90; 98.411; 90
536.15Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt
Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of <i>N</i>-(thiophen-2-ylmethyl)thiophene-2-carboxamide
Acta Crystallographica Section C, 2022, 78
2022622 CIF
HKL
Paper
C29 H39 N5 O22C 1 c 19.4539; 29.9892; 13.1934
90; 106.454; 90
3587.3Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford
Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids
Acta Crystallographica Section C, 2022, 78
2022623 CIF
HKL
Paper
C8 H7 N7 O7P 1 21/c 16.2591; 11.1312; 17.2257
90; 98.646; 90
1186.5Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford
Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids
Acta Crystallographica Section C, 2022, 78
2022624 CIF
HKL
Paper
C14 H14 Cl N3 O4P c a 2123.7648; 8.5785; 6.9373
90; 90; 90
1414.28Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek
A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties
Acta Crystallographica Section C, 2022, 78
2022625 CIF
HKL
Paper
C28 H20 B2 Cu3 F8 N6 O6P b c n21.9637; 12.4106; 11.5844
90; 90; 90
3157.71Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek
A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties
Acta Crystallographica Section C, 2022, 78
2022626 CIF
HKL
Paper
C13 H9 I N2 O2P 1 21/n 19.4503; 12.7805; 10.9605
90; 100.687; 90
1300.84Bosch, Eric; Bowling, Nathan P.
Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides
Acta Crystallographica Section C, 2022, 78
2022627 CIF
HKL
Paper
C13 H9 I N2 O2P 1 21/n 110.4088; 5.32; 23.5462
90; 91.606; 90
1303.35Bosch, Eric; Bowling, Nathan P.
Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides
Acta Crystallographica Section C, 2022, 78
2022628 CIF
HKL
Paper
C13 H9 Br N2 O2P 1 21/n 110.2264; 5.3123; 23.281
90; 92.048; 90
1263.9Bosch, Eric; Bowling, Nathan P.
Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides
Acta Crystallographica Section C, 2022, 78
2022645 CIF
HKL
Paper
C12 H12 Fe N8P -17.7235; 9.4051; 10.5846
112.585; 102.828; 92.852
684.36Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan
Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)]
Acta Crystallographica Section C, 2022, 78
2022646 CIF
HKL
Paper
C12 H12 Fe N8P 1 21/c 17.4901; 18.3242; 10.6219
90; 110.017; 90
1369.79Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan
Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)]
Acta Crystallographica Section C, 2022, 78
2022647 CIF
HKL
Paper
C4 H8 Br N3 OP 1 21/n 18.7252; 7.7772; 10.7406
90; 97.969; 90
721.79Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim
Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2022, 78
2022648 CIF
HKL
Paper
C11 H14 N4 O3P 1 21 17.9887; 6.6098; 11.4753
90; 102.08; 90
592.52Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim
Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2022, 78
2022649 CIF
HKL
Paper
C11 H11 N5 O7P 1 21/c 15.4175; 22.634; 11.3668
90; 98.696; 90
1377.8Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim
Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2022, 78
2022650 CIF
HKL
Paper
C21 H15 Br N4 O2 SP -15.781; 12.717; 14.655
67.751; 78.78; 82.94
976.7Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew
Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2022651 CIF
HKL
Paper
C24 H20 N4 O4 SP 1 21/n 110.919; 8.0871; 24.875
90; 96.65; 90
2181.8Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew
Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2022652 CIF
HKL
Paper
Cd Ge2 Li4 S7C 1 c 116.8354; 6.787; 10.1499
90; 93.71; 90
1157.32Craig, Andrew J.; Shin, Seung Han; Cho, Jeong Bin; Balijapelly, Srikanth; Kelly, Jordan C.; Stoyko, Stanislav S.; Choudhury, Amitava; Jang, Joon I.; Aitken, Jennifer A.
Crystal structure, electronic structure, and optical properties of the novel Li~4~CdGe~2~S~7~, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite
Acta Crystallographica Section C, 2022, 78
2022653 CIF
HKL
Paper
C16 H17 N O4P 1 21/c 16.7134; 15.9685; 13.3879
90; 93.999; 90
1431.73Çakmak, Şükriye; Aycan, Tuğba; Öztürk, Filiz; Veyisoğlu, Aysel
Design, synthesis and spectroscopic and structural characterization of novel <i>N</i>-(2-hydroxy-5-methylphenyl)-2,3-dimethoxybenzamide: DFT, Hirshfeld surface analysis, antimicrobial activity, molecular docking and toxicology
Acta Crystallographica Section C, 2022, 78
2022654 CIF
HKL
Paper
C19 H15 Cd N2 O4P 1 21/n 112.5769; 7.5529; 18.5933
90; 99.863; 90
1740.11Shen, Hong
A new two-dimensional cadmium(II) coordination polymer based on the asymmetric dicarboxylic acid homophthalic acid: synthesis, structure and properties
Acta Crystallographica Section C, 2022, 78
2022655 CIF
HKL
Paper
C14 H32 Cl6 Fe2 N4C 1 2/c 120.3512; 6.4815; 18.049
90; 100.452; 90
2341.3DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong
Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)
Acta Crystallographica Section C, 2022, 78, 507-514
2022656 CIF
HKL
Paper
C15 H36 Cl3 Fe N4 OP 1 21/c 18.1632; 20.847; 12.1387
90; 95.024; 90
2057.8DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong
Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)
Acta Crystallographica Section C, 2022, 78, 507-514
2022657 CIF
HKL
Paper
C14 H32 Cl3 Fe N4P b c n9.2912; 11.9579; 17.267
90; 90; 90
1918.4DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong
Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)
Acta Crystallographica Section C, 2022, 78, 507-514
2022661 CIF
HKL
Paper
C15 H23 N3 O3 SP 1 21/n 16.1202; 25.213; 10.5669
90; 106.403; 90
1564.2Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys
Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime
Acta Crystallographica Section C, 2022, 78
2022662 CIF
HKL
Paper
C14 H21 N3 O4 SP -18.504; 12.229; 15.834
102.194; 91.589; 95.875
1599Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys
Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime
Acta Crystallographica Section C, 2022, 78
2022663 CIF
HKL
Paper
C14 H23 N3 O5 SP 1 21/c 18.2022; 6.3857; 34.166
90; 110.022; 90
1681.35Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys
Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime
Acta Crystallographica Section C, 2022, 78
2022664 CIF
HKL
Paper
C14 H21 N3 O3 S2P -16.2286; 8.5209; 16.2157
84.881; 79.671; 84.66
840.68Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys
Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime
Acta Crystallographica Section C, 2022, 78
2022665 CIF
HKL
Paper
C20 H26 N4 O3 SP -18.4423; 12.0126; 20.3063
100.315; 96.533; 95.678
1997.85Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys
Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime
Acta Crystallographica Section C, 2022, 78
2022666 CIF
HKL
Paper
C17 H18 N4 O3 SP 1 21/c 111.0524; 19.127; 8.8414
90; 107.131; 90
1786.1Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys
Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime
Acta Crystallographica Section C, 2022, 78
2022667 CIF
HKL
Paper
C18 H14 F NP 1 21/c 113.5921; 12.7103; 7.6215
90; 103.133; 90
1282.25Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone
Acta Crystallographica Section C, 2022, 78
2022668 CIF
HKL
Paper
C19 H14 F3 NC 1 2/c 117.2696; 10.8096; 16.1495
90; 91.44; 90
3013.8Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone
Acta Crystallographica Section C, 2022, 78
2022669 CIF
HKL
Paper
C18 H13 Cl2 NC 1 2/c 130.5651; 3.8629; 25.5357
90; 110.497; 90
2824.1Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone
Acta Crystallographica Section C, 2022, 78
2022670 CIF
HKL
Paper
C10 H18 O5 SP 21 21 216.72815; 11.24661; 15.51195
90; 90; 90
1173.77Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li
Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid
Acta Crystallographica Section C, 2022, 78
2022671 CIF
HKL
Paper
C10 H18 O5 SP 21 21 216.72595; 11.23408; 15.51954
90; 90; 90
1172.65Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li
Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid
Acta Crystallographica Section C, 2022, 78
2022672 CIF
HKL
Paper
C17 H18 N4 O3P -16.8722; 11.0502; 11.209
65.618; 89.798; 87.085
774.14Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona
Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates
Acta Crystallographica Section C, 2022, 78, 559-569
2022673 CIF
HKL
Paper
C18 H17 N3 O4P 1 21/c 117.4344; 13.08; 7.0192
90; 92.315; 90
1599.37Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona
Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates
Acta Crystallographica Section C, 2022, 78, 559-569
2022674 CIF
HKL
Paper
C22 H23 N3 O6P -18.679; 8.751; 15.137
92.24; 106.06; 109.46
1030.7Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona
Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates
Acta Crystallographica Section C, 2022, 78, 559-569
2022675 CIF
HKL
Paper
C6 H3 I2 N O2P 1 21/m 14.181; 15.0336; 6.797
90; 96.506; 90
424.48Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.
A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene
Acta Crystallographica Section C, 2022, 78, 552-558
2022676 CIF
HKL
Paper
C6 H3 Br2 N O2P 1 21/m 13.9721; 14.164; 6.7971
90; 96.486; 90
379.96Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.
A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene
Acta Crystallographica Section C, 2022, 78, 552-558
2022677 CIF
HKL
Paper
C6 H3 Cl2 N O2P 1 21/m 13.8115; 13.6452; 6.8976
90; 94.632; 90
357.56Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.
A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene
Acta Crystallographica Section C, 2022, 78, 552-558
2022679 CIF
HKL
Paper
Ir2 S3P b c n8.4728; 6.01563; 6.1537
90; 90; 90
313.649Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa
Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2022680 CIF
HKL
Paper
Rh2 S3P b c n8.4672; 5.98537; 6.13921
90; 90; 90
311.131Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa
Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2022681 CIF
HKL
Paper
C16 H12 O7P 1 21/c 17.4465; 8.0745; 23.16
90; 94.31; 90
1388.6An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi
Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions
Acta Crystallographica Section C, 2022, 78
2022682 CIF
HKL
Paper
C28 H20 Cd N4 O7P 1 21/n 110.1105; 12.0603; 21.2013
90; 103.067; 90
2518.3An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi
Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions
Acta Crystallographica Section C, 2022, 78
2022683 CIF
HKL
Paper
C18 H26 O6P 19.4726; 10.3; 15.3583
73.378; 88.382; 86.4
1432.94Mohammed, Adnan I.; Bhadbhade, Mohan M.; Read, Roger W.
3,4-Bis-<i>O</i>-propargyl-1,2:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-mannitol: a study of multiple weak hydrogen bonds in the solid state
Acta Crystallographica Section C, 2022, 78
2022684 CIF
HKL
Paper
C10 H4.04 Br5.96 FeP -17.0903; 7.4318; 13.8071
88.745; 84.993; 77.728
708.21Blockhaus, Tobias; Sünkel, Karlheinz
Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2022685 CIF
HKL
Paper
C10 H2 Br8 FeP -16.9395; 7.0548; 8.9271
67.577; 76.16; 86.461
392.06Blockhaus, Tobias; Sünkel, Karlheinz
Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2022686 CIF
HKL
Paper
C10 Br10 Fe HgP 1 21/n 18.9784; 14.0971; 15.8485
90; 90.689; 90
2005.79Blockhaus, Tobias; Sünkel, Karlheinz
Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2022687 CIF
HKL
Paper
C22 H31 NP -19.623; 10.13; 10.151
104.686; 103.935; 98.024
907.6Gupta, Sakuntala; Das, Partha Pratim; Crispini, Alessandra; Scarpelli, Francesca; Borbone, Fabio; Centore, Roberto
Crystal and mesophase structure of a bicyclohexyl cyano mesogen
Acta Crystallographica Section C, 2022, 78
2022688 CIF
HKL
Paper
C48 H42 Cl6 Cu F6 N2 O P3P 1 21/c 115.0438; 13.42; 25.3937
90; 100.933; 90
5033.6Kong, Yu-Jie; Wang, Jian-Teng; Song, Li
A new heteroleptic cuprous polymer constructed by a cyanopyridine ligand exhibiting a supramolecular framework structure and luminescence
Acta Crystallographica Section C, 2022, 78
2022689 CIF
HKL
Paper
C8 H11 B F4 OP n m a9.7906; 9.6859; 9.8673
90; 90; 90
935.72Mandal, Koushik; Sarkar, Sounak; Ghosh, Peuli; Hathwar, Venkatesha R.; Chopra, Deepak
Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate
Acta Crystallographica Section C, 2022, 78
2022690 CIF
HKL
Paper
C24 H21 B Br PP -19.492; 10.0234; 12.0606
81.515; 74.038; 67.798
1020.21Allen, Caleb J.; Olden, Alex M.; Yates, James L.; Wheeler, Kraig A.; Abbey, Eric R.
Synthesis, crystal structure and Hirshfeld analysis of triphenylphosphine–(4-bromophenyl)borane
Acta Crystallographica Section C, 2022, 78
2022693 CIF
HKL
Paper
C19 H24 F N3 O5P 21 21 217.1687; 10.6689; 23.4887
90; 90; 90
1796.47Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna
Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate
Acta Crystallographica Section C, 2022, 78
2022694 CIF
HKL
Paper
C19 H24 F N3 O5P 21 21 217.1815; 10.684; 23.5104
90; 90; 90
1803.89Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna
Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate
Acta Crystallographica Section C, 2022, 78
2022695 CIF
Paper
C8 H4 I2 N2 SP b c a11.0392; 8.1756; 23.3673
90; 90; 90
2108.95De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.
Competition between chalcogen and halogen bonding assessed through isostructural species
Acta Crystallographica Section C, 2022, 78
2022696 CIF
HKL
Paper
C8 H4 Br2 N2 SeP b c a11.1945; 7.1006; 25.4725
90; 90; 90
2024.75De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.
Competition between chalcogen and halogen bonding assessed through isostructural species
Acta Crystallographica Section C, 2022, 78
2022697 CIF
HKL
Paper
C8 H4 Br I N2 SeP b c a11.1735; 7.1222; 26.1875
90; 90; 90
2084De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.
Competition between chalcogen and halogen bonding assessed through isostructural species
Acta Crystallographica Section C, 2022, 78
2022698 CIF
HKL
Paper
C8 H4 Br I N2 SP b c a10.9919; 6.9945; 26.4076
90; 90; 90
2030.29De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.
Competition between chalcogen and halogen bonding assessed through isostructural species
Acta Crystallographica Section C, 2022, 78
2022700 CIF
HKL
Paper
C8 H17 Cl N6 OC 1 2/c 119.294; 9.4173; 13.743
90; 108.57; 90
2367.1Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022701 CIF
HKL
Paper
C4 H7 N3P -15.9577; 6.7494; 6.8249
101.641; 104.225; 111.425
234.36Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022702 CIF
HKL
Paper
C4 H6 N2 OP 1 21/n 17.3685; 8.0074; 8.4211
90; 115.741; 90
447.56Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022703 CIF
HKL
Paper
C5 H8 N2 OP -16.3296; 7.0222; 7.351
84.975; 71.693; 63.889
278.05Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022704 CIF
HKL
Paper
C6 H13 N3 OP 1 21/c 19.4887; 14.5341; 12.2828
90; 111.32; 90
1578Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022705 CIF
HKL
Paper
C4 H2 Cl N O2 SP 1 21 19.7839; 10.2313; 18.272
90; 97.125; 90
1814.9George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.
Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 125-132
2022706 CIF
HKL
Paper
C3 H4 Br2 Cl N OP 1 21 16.5967; 24.1942; 9.1724
90; 91.904; 90
1463.12George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.
Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 125-132
2022707 CIF
HKL
Paper
C10 H7 Br2 N O2 SP c a 217.1195; 16.4402; 9.7821
90; 90; 90
1144.96George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.
Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 125-132
2022708 CIF
HKL
Paper
Ga18 Mg Mn4P 4/m m m6.3116; 6.3116; 9.944
90; 90; 90
396.13Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Chumak, Ihor; Indris, Sylvio; Schwarz, Bjoern; Ehrenberg, Helmut
MgMn~4~Ga~18~: a novel three-shell gallium cluster structure
Acta Crystallographica, Section C, 2022, 78, 455-461
2022776 CIF
HKL
Paper
C18 H14 N2 OP c a 219.1548; 9.7791; 15.6336
90; 90; 90
1399.61Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen
Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis
Acta Crystallographica Section C Structural Chemistry, 2023, 79, 292-304

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